Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | GAA | P10253 | 3/20 | 0.43 |
| ▸ | PTPRB | P23467 | 1/20 | 0.42 |
| ▸ | NAMPT | P43490 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | MAPKAPK2 | P49137 | 2/20 | 0.39 |
| ▸ | AURKA | O14965 | 1/20 | 0.39 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.39 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL6676311 | 0.82 | ALDH1A1 (0.42) | CYP17A1ALDH1A1GAAPTPRBCYP3A4 | |
| SCHEMBL27544140 | 0.82 | CYP17A1 (0.44) | CYP17A1ALDH1A1PTPRBNAMPTCYP3A4 | |
| SCHEMBL12071196 | 0.81 | CYP17A1 (0.51) | CYP17A1ALDH1A1GAANAMPTCYP3A4 | |
| SCHEMBL5388847 | 0.81 | NAMPT (0.58) | CYP17A1GAANAMPTMAPKAPK2AURKA | |
| SCHEMBL27494826 | 0.80 | ALDH1A1 (0.41) | CYP17A1ALDH1A1GAACYP3A4CYP2D6 | |
| SCHEMBL6678162 | 0.80 | PRMT1 (0.40) | CYP17A1ALDH1A1GAAPTPRBNAMPT | |
| SCHEMBL2876045 | 0.79 | NAMPT (0.60) | CYP17A1ALDH1A1NAMPTHPGDPTPN11 | |
| SCHEMBL27564510 | 0.78 | PTPRB (0.41) | CYP17A1PTPRBNAMPTPTPN11KMT2A | |
| SCHEMBL255661 | 0.77 | PTPRB (0.41) | CYP17A1ALDH1A1GAAPTPRBCYP3A4 | |
| SCHEMBL255674 | 0.77 | NPC1 (0.48) | ALDH1A1GAAPTPRBCYP3A4CYP2C9 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0798292-B1 | ANILINE DERIVATIVES HAVING NITROGEN MONOXIDE SYNTHASE INHIBITORY ACTIVITY | CHUGAI SEIYAKUKABUSHIKI KAISHA (JP) | 2004-11-03 | — | — | EP | disclosed |
| US-6534546-B1 | Guanidine- or isothioureido-N-derived anilines; brain, nervous system, and neurodegenerative disorders | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2003-03-18 | — | — | US | disclosed |
| CN-1310169-A | Anils with nitric oxide synzyme inhibiting function | SHUGAI SEIYAKU K K (JP) | 2001-08-29 | — | — | CN | disclosed |
| EP-0798292-A1 | ANILINE DERIVATIVES HAVING NITROGEN MONOXIDE SYNTHASE INHIBITORY ACTIVITY | Chugai Seiyaku Kabushiki Kaisha (JP) | 1997-10-01 | — | — | EP | disclosed |